3-[(2,5-dimethylphenyl)methyl]cyclopent-2-en-1-ol

C14H18O — CID 65174483

IUPAC3-[(2,5-dimethylphenyl)methyl]cyclopent-2-en-1-ol
SMILESCc1ccc(C)c(CC2=CC(O)CC2)c1
InChIInChI=1S/C14H18O/c1-10-3-4-11(2)13(7-10)8-12-5-6-14(15)9-12/h3-4,7,9,14-15H,5-6,8H2,1-2H3
InChIKeyRQQCQHNQCCURIS-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.93
Rot. Bonds2

About 3-[(2,5-dimethylphenyl)methyl]cyclopent-2-en-1-ol

3-[(2,5-dimethylphenyl)methyl]cyclopent-2-en-1-ol (PubChem CID 65174483) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-[(2,5-dimethylphenyl)methyl]cyclopent-2-en-1-ol.

Molecular Properties

Compound Name3-[(2,5-dimethylphenyl)methyl]cyclopent-2-en-1-ol
PubChem CID65174483
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name3-[(2,5-dimethylphenyl)methyl]cyclopent-2-en-1-ol
SMILESCc1ccc(C)c(CC2=CC(O)CC2)c1
InChIInChI=1S/C14H18O/c1-10-3-4-11(2)13(7-10)8-12-5-6-14(15)9-12/h3-4,7,9,14-15H,5-6,8H2,1-2H3
InChIKeyRQQCQHNQCCURIS-UHFFFAOYSA-N
XLogP2.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(3-chlorocyclopenten-1-yl)methyl]-1,4-dimethylbenzene
CID 65174776
2-(cyclopenta-1,3-dien-1-ylmethyl)-1,4-dimethylbenzene
CID 140587752
4-[(2,5-dimethylphenyl)methyl-methylamino]cyclohexan-1-ol
CID 115149515
4-[(2,5-dimethylphenyl)methyl]cyclohexan-1-ol
CID 116928416
1,3-bis[(2,5-dimethylphenyl)methyl]-2,5-dimethylbenzene
CID 20734489
2-[(2,5-dimethylphenyl)methyl]oxirane
CID 14045723
4-N-[(2,5-dimethylphenyl)methyl]-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 79122756
1-cyclopropyl-2-(2,5-dimethylphenyl)ethanol
CID 61481966
2-(2-cyclohexylethyl)-1,4-dimethylbenzene
CID 59184196
4-[(2,5-dimethylphenyl)methylamino]oxolan-3-ol
CID 115919725
1-[(2,5-dimethylphenyl)methyl]pyrrolidin-3-ol
CID 24904964
2-[(2,5-dimethylphenyl)methylamino]cyclohexan-1-ol
CID 62358499

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylphenyl)methyl]cyclopent-2-en-1-ol?
The IUPAC name of 3-[(2,5-dimethylphenyl)methyl]cyclopent-2-en-1-ol (CID 65174483) is 3-[(2,5-dimethylphenyl)methyl]cyclopent-2-en-1-ol.
What is the SMILES notation for 3-[(2,5-dimethylphenyl)methyl]cyclopent-2-en-1-ol?
The canonical SMILES for 3-[(2,5-dimethylphenyl)methyl]cyclopent-2-en-1-ol is Cc1ccc(C)c(CC2=CC(O)CC2)c1.
What is the InChIKey of 3-[(2,5-dimethylphenyl)methyl]cyclopent-2-en-1-ol?
The InChIKey is RQQCQHNQCCURIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-10-3-4-11(2)13(7-10)8-12-5-6-14(15)9-12/h3-4,7,9,14-15H,5-6,8H2,1-2H3.
What are the key properties of 3-[(2,5-dimethylphenyl)methyl]cyclopent-2-en-1-ol?
3-[(2,5-dimethylphenyl)methyl]cyclopent-2-en-1-ol has a molecular weight of 202.30 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylphenyl)methyl]cyclopent-2-en-1-ol is sourced from PubChem (CID 65174483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).